2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C26H28N6O — CID 42100254

IUPAC2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cccn2-c2ccccn2)CC1
InChIInChI=1S/C26H28N6O/c1-20-7-2-3-9-23(20)26(33)29-25-11-15-28-32(25)21-12-17-30(18-13-21)19-22-8-6-16-31(22)24-10-4-5-14-27-24/h2-11,14-16,21H,12-13,17-19H2,1H3,(H,29,33)
InChIKeyFPKZDLNPKSLMMR-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.47
Rot. Bonds6

About 2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 42100254) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID42100254
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cccn2-c2ccccn2)CC1
InChIInChI=1S/C26H28N6O/c1-20-7-2-3-9-23(20)26(33)29-25-11-15-28-32(25)21-12-17-30(18-13-21)19-22-8-6-16-31(22)24-10-4-5-14-27-24/h2-11,14-16,21H,12-13,17-19H2,1H3,(H,29,33)
InChIKeyFPKZDLNPKSLMMR-UHFFFAOYSA-N
XLogP4.47
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 42100254) is 2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is Cc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cccn2-c2ccccn2)CC1.
What is the InChIKey of 2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is FPKZDLNPKSLMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-20-7-2-3-9-23(20)26(33)29-25-11-15-28-32(25)21-12-17-30(18-13-21)19-22-8-6-16-31(22)24-10-4-5-14-27-24/h2-11,14-16,21H,12-13,17-19H2,1H3,(H,29,33).
What are the key properties of 2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 440.55 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 42100254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).